(2R)-N-(1,3-benzodioxol-5-yl)-2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(5-ethyl-2-methyl-1-pyridin-1-iumyl)propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)propionamide Formula: C18H21N2O3+ MolecularWeight: 313.37094

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[N+](=C(C=C1)C)C(C)C(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCC1=C[N+](=C(C=C1)C)[C@H](C)C(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H20N2O3/c1-4-14-6-5-12(2)20(10-14)13(3)18(21)19-15-7-8-16-17(9-15)23-11-22-16/h5-10,13H,4,11H2,1-3H3/p+1/t13-/m1/s1